Decyl 3-mercaptopropionate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H26O2S
Molecular Weight	246.409
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Decyl 3-mercaptopropionate

Structure Search

SMILES

CCCCCCCCCCOC(=O)CCS

InChI

InChIKey=XIZMMPKZMJWKFV-UHFFFAOYSA-N

InChI=1S/C13H26O2S/c1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16/h16H,2-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H26O2S
Molecular Weight	246.409
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:12:14 GMT 2025` Edited by `admin` on `Tue Apr 01 19:12:14 GMT 2025`
Record UNII	J79KTT5LRM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Decyl 3-mercaptopropionate

Systematic Name

English

Decyl 3-mercaptopropanoate

Preferred Name

English

Propanoic acid, 3-mercapto-, decyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

256-202-6

Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025

PRIMARY

FDA UNII

J79KTT5LRM

Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025

PRIMARY

CAS

45180-55-0

Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025

PRIMARY

EPA CompTox

DTXSID40196411

Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025

PRIMARY

PUBCHEM

3016440

Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025

PRIMARY